N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride

C14H17Cl2N3O2S — CID 84591500

IUPACN-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC(N)c2ccccc2)cnc1Cl.Cl
InChIInChI=1S/C14H16ClN3O2S.ClH/c1-10-7-12(8-17-14(10)15)21(19,20)18-9-13(16)11-5-3-2-4-6-11;/h2-8,13,18H,9,16H2,1H3;1H
InChIKeyXCUPLGIQJYBSHN-UHFFFAOYSA-N
MW362.28 g/mol
LogP2.44
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride

N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride (PubChem CID 84591500) has the molecular formula C14H17Cl2N3O2S and a molecular weight of 362.28 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride
PubChem CID84591500
Molecular FormulaC14H17Cl2N3O2S
Molecular Weight362.28 g/mol
Exact Mass361.04
IUPAC NameN-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC(N)c2ccccc2)cnc1Cl.Cl
InChIInChI=1S/C14H16ClN3O2S.ClH/c1-10-7-12(8-17-14(10)15)21(19,20)18-9-13(16)11-5-3-2-4-6-11;/h2-8,13,18H,9,16H2,1H3;1H
InChIKeyXCUPLGIQJYBSHN-UHFFFAOYSA-N
XLogP2.44
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 97238560
N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 119976302
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119976287
N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide
CID 97238580
N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide
CID 97238577
N-(2-amino-2-phenylethyl)-4,5-dimethyl-2-nitrobenzenesulfonamide
CID 119976158
methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate
CID 124687144
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 75386776
N-(2-amino-2-phenylethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120709313

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride (CID 84591500) is N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NCC(N)c2ccccc2)cnc1Cl.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride?
The InChIKey is XCUPLGIQJYBSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S.ClH/c1-10-7-12(8-17-14(10)15)21(19,20)18-9-13(16)11-5-3-2-4-6-11;/h2-8,13,18H,9,16H2,1H3;1H.
What are the key properties of N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride?
N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride has a molecular weight of 362.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 84591500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).